Information card for entry 4120769

Structure parameters

• Formula: C273.01 H265.51 F36 N28.5 O12 P18 Re6
• Calculated formula: C273 H216 F36 N28.5 O12 P18 Re6
• Title of publication: Ring-Shaped Re(I) Multinuclear Complexes with Unique Photofunctional Properties
• Authors of publication: Tatsuki Morimoto; Chiaki Nishiura; Marina Tanaka; Jana Rohacova; Yuki Nakagawa; Yusuke Funada; Kazuhide Koike; Youhei Yamamoto; Sayaka Shishido; Tatsuhiro Kojima; Takuro Saeki; Tomoji Ozeki; Osamu Ishitani
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 13266 - 13269
• a: 31.2399 ± 0.0005 Å
• b: 30.3656 ± 0.0006 Å
• c: 21.5745 ± 0.0005 Å
• α: 90°
• β: 131.866 ± 0.001°
• γ: 90°
• Cell volume: 15241.2 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0839
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1534
• Weighted residual factors for all reflections included in the refinement: 0.1607
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No